SCHEMBL711646

SCHEMBL711646

COc1ccc2c([S+]([O-])c3ccccc3[N+](=O)[O-])cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 6/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PLA2G2A P14555 2/20 0.35
DCTPP1 Q9H773 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL711655 0.82 TP53 (0.38) TP53RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL711459 0.80 TP53 (0.49) TP53KMT2ASMN1; SMN2P2RX7MEN1
SCHEMBL3263625 0.74 TP53 (0.40) TP53RAB9AKMT2ASMN1; SMN2P2RX7
SCHEMBL10131759 0.69 DCTPP1 (0.40) TP53RAB9AKMT2ACNR1CNR2
SCHEMBL13356746 0.68 SLC6A2 (0.46) TP53KMT2AP2RX7CNR1CNR2
SCHEMBL13356972 0.68 HTR6 (0.48) TP53SMN1; SMN2P2RX7PLA2G2A
SCHEMBL708494 0.68 CNR1 (0.37) RAB9AKMT2ANPC1SMN1; SMN2CNR1
SCHEMBL711656 0.68 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2CNR2LMNAALDH1A1
SCHEMBL709821 0.67 CHRM1 (0.46) TP53RAB9ANPC1SMN1; SMN2CNR1
SCHEMBL917610 0.67 LMNA (0.36) KMT2ASMN1; SMN2P2RX7LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-8124647-B2 Non-steroidal androgens compounds N.V. ORGANON (NL) 2012-02-28 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS MERCK SHARP & DOHME B.V. (NL) 2011-03-17 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
US-7795280-B2 Indoles useful in the treatment of androgen-receptor related diseases N.V. ORGANON (NL) 2010-09-14 US disclosed
EP-1585727-B1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES ORGANON NV (NL) 2010-05-26 EP disclosed
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AKZO NOBEL N.V. (NL) 2006-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110065768-A1 NON-STEROIDAL ANDROGENS COMPOUNDS AR, NR5A1, SHBG TP53 571/4885RAB9A 4427/4885KMT2A 1608/4885
US-20060128722-A1 Indoles useful in the treatment of androgen-receptor related diseases AR, NR5A1, SHBG TP53 410/4885RAB9A 3705/4885KMT2A 1247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.